Geometry & MOs

Info

ID:	411456
PubChem CID:	135084287
Reduced:	NO2H11C13 (1)
Stoich.:	AB2C11D13 (1)
Weight, g/mol:	222.125594
ΔH_f, kcal/mol:	-23.16
Dipole, Da:	4.46
IP(EA), eV:	-9.47(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2Z,4Z)-5-tert-butyl-7-methoxyhepta-2,4-dien-6-ynoate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)O)C(=O)CC2=CN=CC=C2

DOS

IR

Vibrations